332976
4-Propylbenzoic acid
97%
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About This Item
Linear Formula:
CH3CH2CH2C6H4CO2H
CAS Number:
Molecular Weight:
164.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
4-Propylbenzoic acid, 97%
InChI
1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
SMILES string
CCCc1ccc(cc1)C(O)=O
InChI key
ATZHGRNFEFVDDJ-UHFFFAOYSA-N
assay
97%
mp
142-144 °C (lit.)
functional group
carboxylic acid
Application
4-Propylbenzoic acid was used in the preparation of [2,7-dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)-methanone.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Kosuke Sasagawa et al.
Acta crystallographica. Section E, Structure reports online, 68(Pt 8), o2596-o2596 (2012-08-21)
In the title compound, C(32)H(32)O(4), the 4-propyl-benzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost anti-parallel, and their benzene rings make a dihedral angle of 8.64 (10)°. The dihedral angles between the naphthalene ring system
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